USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 261 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.125 (180deg=0) USER MOD Single : A 6 HIS : no HE2:sc= -7.96! C(o=-8!,f=-16!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.91! C(o=-1.9!,f=-6.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 0.0316 (180deg=0.0277) USER MOD Single : A 26 THR OG1 : rot -63:sc= 0.14 USER MOD Single : A 27 ASN : amide:sc= -5.76! C(o=-5.8!,f=-5.4!) USER MOD Single : A 30 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.104) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.532 10.348 -5.939 1.00 0.00 N ATOM 2 CA GLY A 1 -7.917 11.468 -5.170 1.00 0.00 C ATOM 3 C GLY A 1 -6.462 11.129 -4.846 1.00 0.00 C ATOM 4 O GLY A 1 -5.908 10.173 -5.351 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.044 10.730 -6.759 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.786 9.701 -6.267 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.195 9.830 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.966 12.390 -5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.475 11.640 -4.249 1.00 0.00 H new ATOM 10 N ASP A 2 -5.838 11.908 -4.007 1.00 0.00 N ATOM 11 CA ASP A 2 -4.418 11.634 -3.648 1.00 0.00 C ATOM 12 C ASP A 2 -4.280 10.222 -3.073 1.00 0.00 C ATOM 13 O ASP A 2 -4.717 9.944 -1.972 1.00 0.00 O ATOM 14 CB ASP A 2 -4.070 12.683 -2.589 1.00 0.00 C ATOM 15 CG ASP A 2 -2.550 12.782 -2.447 1.00 0.00 C ATOM 16 OD1 ASP A 2 -1.922 13.284 -3.365 1.00 0.00 O ATOM 17 OD2 ASP A 2 -2.042 12.357 -1.424 1.00 0.00 O ATOM 0 H ASP A 2 -6.250 12.724 -3.554 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.754 11.690 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.483 13.651 -2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.518 12.412 -1.633 1.00 0.00 H new ATOM 22 N CYS A 3 -3.677 9.328 -3.807 1.00 0.00 N ATOM 23 CA CYS A 3 -3.512 7.936 -3.303 1.00 0.00 C ATOM 24 C CYS A 3 -2.986 7.947 -1.865 1.00 0.00 C ATOM 25 O CYS A 3 -2.654 8.982 -1.323 1.00 0.00 O ATOM 26 CB CYS A 3 -2.493 7.289 -4.241 1.00 0.00 C ATOM 27 SG CYS A 3 -1.083 8.403 -4.477 1.00 0.00 S ATOM 0 H CYS A 3 -3.291 9.502 -4.735 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.456 7.392 -3.290 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.153 6.340 -3.825 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.958 7.068 -5.202 1.00 0.00 H new ATOM 32 N LEU A 4 -2.906 6.800 -1.246 1.00 0.00 N ATOM 33 CA LEU A 4 -2.398 6.740 0.152 1.00 0.00 C ATOM 34 C LEU A 4 -0.875 6.619 0.142 1.00 0.00 C ATOM 35 O LEU A 4 -0.285 6.309 -0.866 1.00 0.00 O ATOM 36 CB LEU A 4 -3.040 5.488 0.751 1.00 0.00 C ATOM 37 CG LEU A 4 -4.561 5.632 0.721 1.00 0.00 C ATOM 38 CD1 LEU A 4 -5.176 4.380 0.099 1.00 0.00 C ATOM 39 CD2 LEU A 4 -5.085 5.802 2.148 1.00 0.00 C ATOM 0 H LEU A 4 -3.171 5.902 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.643 7.632 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.736 4.606 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.698 5.345 1.776 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.833 6.505 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.261 4.480 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.802 4.257 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.905 3.508 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.170 5.905 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.814 4.929 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.644 6.694 2.594 1.00 0.00 H new ATOM 51 N PRO A 5 -0.288 6.871 1.271 1.00 0.00 N ATOM 52 CA PRO A 5 1.194 6.798 1.398 1.00 0.00 C ATOM 53 C PRO A 5 1.684 5.364 1.182 1.00 0.00 C ATOM 54 O PRO A 5 0.923 4.420 1.262 1.00 0.00 O ATOM 55 CB PRO A 5 1.441 7.249 2.834 1.00 0.00 C ATOM 56 CG PRO A 5 0.158 6.944 3.528 1.00 0.00 C ATOM 57 CD PRO A 5 -0.923 7.233 2.535 1.00 0.00 C ATOM 0 HA PRO A 5 1.721 7.406 0.663 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.276 6.712 3.284 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.680 8.311 2.884 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.125 5.903 3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.042 7.557 4.422 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.818 6.641 2.725 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.223 8.281 2.554 1.00 0.00 H new ATOM 65 N HIS A 6 2.947 5.195 0.900 1.00 0.00 N ATOM 66 CA HIS A 6 3.483 3.838 0.670 1.00 0.00 C ATOM 67 C HIS A 6 3.894 3.185 1.991 1.00 0.00 C ATOM 68 O HIS A 6 4.852 2.441 2.063 1.00 0.00 O ATOM 69 CB HIS A 6 4.691 4.039 -0.250 1.00 0.00 C ATOM 70 CG HIS A 6 5.456 2.749 -0.378 1.00 0.00 C ATOM 71 ND1 HIS A 6 6.840 2.718 -0.447 1.00 0.00 N ATOM 72 CD2 HIS A 6 5.047 1.441 -0.446 1.00 0.00 C ATOM 73 CE1 HIS A 6 7.211 1.428 -0.550 1.00 0.00 C ATOM 74 NE2 HIS A 6 6.157 0.608 -0.555 1.00 0.00 N ATOM 0 H HIS A 6 3.630 5.949 0.820 1.00 0.00 H new ATOM 0 HA HIS A 6 2.743 3.174 0.224 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.359 4.375 -1.233 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.339 4.818 0.151 1.00 0.00 H new ATOM 0 HD1 HIS A 6 7.463 3.525 -0.424 1.00 0.00 H new ATOM 0 HD2 HIS A 6 4.020 1.108 -0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.236 1.097 -0.620 1.00 0.00 H new ATOM 82 N LEU A 7 3.166 3.446 3.033 1.00 0.00 N ATOM 83 CA LEU A 7 3.495 2.839 4.338 1.00 0.00 C ATOM 84 C LEU A 7 2.299 2.892 5.300 1.00 0.00 C ATOM 85 O LEU A 7 2.446 2.691 6.489 1.00 0.00 O ATOM 86 CB LEU A 7 4.666 3.659 4.879 1.00 0.00 C ATOM 87 CG LEU A 7 5.977 2.912 4.632 1.00 0.00 C ATOM 88 CD1 LEU A 7 7.110 3.621 5.373 1.00 0.00 C ATOM 89 CD2 LEU A 7 5.853 1.474 5.141 1.00 0.00 C ATOM 0 H LEU A 7 2.351 4.059 3.034 1.00 0.00 H new ATOM 0 HA LEU A 7 3.748 1.784 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.695 4.634 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.534 3.839 5.946 1.00 0.00 H new ATOM 0 HG LEU A 7 6.192 2.898 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.046 3.091 5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.199 4.644 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.894 3.634 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.789 0.943 4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.638 1.484 6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.044 0.969 4.613 1.00 0.00 H new ATOM 101 N LYS A 8 1.119 3.145 4.805 1.00 0.00 N ATOM 102 CA LYS A 8 -0.070 3.189 5.705 1.00 0.00 C ATOM 103 C LYS A 8 -1.011 2.041 5.355 1.00 0.00 C ATOM 104 O LYS A 8 -0.789 1.318 4.406 1.00 0.00 O ATOM 105 CB LYS A 8 -0.741 4.535 5.431 1.00 0.00 C ATOM 106 CG LYS A 8 -1.922 4.729 6.385 1.00 0.00 C ATOM 107 CD LYS A 8 -2.266 6.218 6.474 1.00 0.00 C ATOM 108 CE LYS A 8 -2.885 6.522 7.839 1.00 0.00 C ATOM 109 NZ LYS A 8 -1.749 6.991 8.680 1.00 0.00 N ATOM 0 H LYS A 8 0.926 3.323 3.819 1.00 0.00 H new ATOM 0 HA LYS A 8 0.199 3.087 6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.021 5.343 5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.086 4.576 4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.786 4.166 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.672 4.343 7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.368 6.818 6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.962 6.489 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.659 7.285 7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.353 5.635 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.094 7.220 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.031 6.242 8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.327 7.840 8.252 1.00 0.00 H new ATOM 123 N ARG A 9 -2.056 1.855 6.105 1.00 0.00 N ATOM 124 CA ARG A 9 -2.984 0.739 5.786 1.00 0.00 C ATOM 125 C ARG A 9 -3.795 1.067 4.529 1.00 0.00 C ATOM 126 O ARG A 9 -4.168 2.198 4.297 1.00 0.00 O ATOM 127 CB ARG A 9 -3.898 0.610 7.006 1.00 0.00 C ATOM 128 CG ARG A 9 -5.060 -0.333 6.679 1.00 0.00 C ATOM 129 CD ARG A 9 -5.257 -1.321 7.832 1.00 0.00 C ATOM 130 NE ARG A 9 -6.033 -2.449 7.245 1.00 0.00 N ATOM 131 CZ ARG A 9 -6.957 -3.044 7.950 1.00 0.00 C ATOM 132 NH1 ARG A 9 -7.861 -2.338 8.572 1.00 0.00 N ATOM 133 NH2 ARG A 9 -6.976 -4.345 8.034 1.00 0.00 N ATOM 0 H ARG A 9 -2.307 2.420 6.916 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.453 -0.191 5.584 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.334 0.227 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.281 1.590 7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.973 0.240 6.517 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.855 -0.873 5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.300 -1.663 8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.796 -0.860 8.659 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.842 -2.757 6.291 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.846 -1.320 8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.582 -2.804 9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.269 -4.898 7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.698 -4.810 8.585 1.00 0.00 H new ATOM 147 N CYS A 10 -4.062 0.082 3.714 1.00 0.00 N ATOM 148 CA CYS A 10 -4.842 0.333 2.465 1.00 0.00 C ATOM 149 C CYS A 10 -6.014 -0.647 2.362 1.00 0.00 C ATOM 150 O CYS A 10 -5.927 -1.782 2.785 1.00 0.00 O ATOM 151 CB CYS A 10 -3.868 0.126 1.283 1.00 0.00 C ATOM 152 SG CYS A 10 -2.471 -0.943 1.747 1.00 0.00 S ATOM 0 H CYS A 10 -3.774 -0.886 3.858 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.256 1.341 2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.403 -0.317 0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.492 1.092 0.947 1.00 0.00 H new ATOM 157 N LYS A 11 -7.109 -0.213 1.798 1.00 0.00 N ATOM 158 CA LYS A 11 -8.289 -1.113 1.660 1.00 0.00 C ATOM 159 C LYS A 11 -8.224 -1.861 0.325 1.00 0.00 C ATOM 160 O LYS A 11 -8.593 -3.015 0.230 1.00 0.00 O ATOM 161 CB LYS A 11 -9.504 -0.184 1.694 1.00 0.00 C ATOM 162 CG LYS A 11 -10.129 -0.202 3.092 1.00 0.00 C ATOM 163 CD LYS A 11 -10.809 1.142 3.359 1.00 0.00 C ATOM 164 CE LYS A 11 -12.040 1.278 2.460 1.00 0.00 C ATOM 165 NZ LYS A 11 -13.164 0.693 3.246 1.00 0.00 N ATOM 0 H LYS A 11 -7.237 0.728 1.426 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.331 -1.865 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.205 0.831 1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.238 -0.502 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.855 -1.011 3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.362 -0.390 3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.101 1.212 4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.113 1.958 3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.234 2.322 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.900 0.748 1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.042 0.751 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.956 -0.303 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.279 1.222 4.134 1.00 0.00 H new ATOM 179 N ALA A 12 -7.755 -1.211 -0.707 1.00 0.00 N ATOM 180 CA ALA A 12 -7.665 -1.884 -2.034 1.00 0.00 C ATOM 181 C ALA A 12 -6.251 -1.739 -2.610 1.00 0.00 C ATOM 182 O ALA A 12 -5.535 -0.812 -2.298 1.00 0.00 O ATOM 183 CB ALA A 12 -8.685 -1.161 -2.916 1.00 0.00 C ATOM 0 H ALA A 12 -7.431 -0.244 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.870 -2.953 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.679 -1.600 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.679 -1.262 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.424 -0.105 -2.983 1.00 0.00 H new ATOM 189 N ASP A 13 -5.845 -2.655 -3.444 1.00 0.00 N ATOM 190 CA ASP A 13 -4.483 -2.579 -4.037 1.00 0.00 C ATOM 191 C ASP A 13 -4.255 -1.219 -4.705 1.00 0.00 C ATOM 192 O ASP A 13 -3.170 -0.672 -4.667 1.00 0.00 O ATOM 193 CB ASP A 13 -4.445 -3.695 -5.078 1.00 0.00 C ATOM 194 CG ASP A 13 -4.858 -5.015 -4.425 1.00 0.00 C ATOM 195 OD1 ASP A 13 -5.004 -5.034 -3.214 1.00 0.00 O ATOM 196 OD2 ASP A 13 -5.021 -5.984 -5.147 1.00 0.00 O ATOM 0 H ASP A 13 -6.401 -3.457 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.704 -2.690 -3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.116 -3.460 -5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.443 -3.782 -5.497 1.00 0.00 H new ATOM 201 N ASN A 14 -5.266 -0.673 -5.327 1.00 0.00 N ATOM 202 CA ASN A 14 -5.100 0.645 -6.008 1.00 0.00 C ATOM 203 C ASN A 14 -5.431 1.798 -5.053 1.00 0.00 C ATOM 204 O ASN A 14 -6.112 2.738 -5.413 1.00 0.00 O ATOM 205 CB ASN A 14 -6.082 0.617 -7.180 1.00 0.00 C ATOM 206 CG ASN A 14 -7.512 0.776 -6.661 1.00 0.00 C ATOM 207 OD1 ASN A 14 -7.752 0.699 -5.472 1.00 0.00 O ATOM 208 ND2 ASN A 14 -8.478 0.993 -7.511 1.00 0.00 N ATOM 0 H ASN A 14 -6.198 -1.082 -5.393 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.074 0.803 -6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.849 1.418 -7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.985 -0.322 -7.725 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.436 1.098 -7.178 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.275 1.057 -8.508 1.00 0.00 H new ATOM 215 N ASP A 15 -4.942 1.741 -3.845 1.00 0.00 N ATOM 216 CA ASP A 15 -5.215 2.841 -2.873 1.00 0.00 C ATOM 217 C ASP A 15 -3.902 3.488 -2.420 1.00 0.00 C ATOM 218 O ASP A 15 -3.854 4.653 -2.080 1.00 0.00 O ATOM 219 CB ASP A 15 -5.932 2.174 -1.710 1.00 0.00 C ATOM 220 CG ASP A 15 -7.291 2.841 -1.491 1.00 0.00 C ATOM 221 OD1 ASP A 15 -7.780 3.464 -2.418 1.00 0.00 O ATOM 222 OD2 ASP A 15 -7.819 2.717 -0.398 1.00 0.00 O ATOM 0 H ASP A 15 -4.364 0.980 -3.487 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.817 3.639 -3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.066 1.112 -1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.328 2.251 -0.806 1.00 0.00 H new ATOM 227 N CYS A 16 -2.836 2.739 -2.426 1.00 0.00 N ATOM 228 CA CYS A 16 -1.517 3.296 -2.005 1.00 0.00 C ATOM 229 C CYS A 16 -0.900 4.108 -3.142 1.00 0.00 C ATOM 230 O CYS A 16 -1.220 3.916 -4.298 1.00 0.00 O ATOM 231 CB CYS A 16 -0.654 2.066 -1.738 1.00 0.00 C ATOM 232 SG CYS A 16 -1.410 1.075 -0.428 1.00 0.00 S ATOM 0 H CYS A 16 -2.820 1.758 -2.706 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.604 3.954 -1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.556 1.473 -2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.351 2.370 -1.445 1.00 0.00 H new ATOM 237 N CYS A 17 -0.001 4.993 -2.828 1.00 0.00 N ATOM 238 CA CYS A 17 0.653 5.789 -3.897 1.00 0.00 C ATOM 239 C CYS A 17 1.727 4.928 -4.561 1.00 0.00 C ATOM 240 O CYS A 17 2.308 5.303 -5.560 1.00 0.00 O ATOM 241 CB CYS A 17 1.281 6.991 -3.195 1.00 0.00 C ATOM 242 SG CYS A 17 -0.001 8.205 -2.782 1.00 0.00 S ATOM 0 H CYS A 17 0.309 5.199 -1.878 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.045 6.113 -4.669 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.793 6.667 -2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.032 7.448 -3.839 1.00 0.00 H new ATOM 247 N GLY A 18 1.978 3.757 -4.026 1.00 0.00 N ATOM 248 CA GLY A 18 2.990 2.861 -4.643 1.00 0.00 C ATOM 249 C GLY A 18 2.259 1.852 -5.530 1.00 0.00 C ATOM 250 O GLY A 18 2.866 1.071 -6.235 1.00 0.00 O ATOM 0 H GLY A 18 1.524 3.389 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.701 3.440 -5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.561 2.345 -3.871 1.00 0.00 H new ATOM 254 N LYS A 19 0.952 1.867 -5.492 1.00 0.00 N ATOM 255 CA LYS A 19 0.164 0.918 -6.321 1.00 0.00 C ATOM 256 C LYS A 19 0.485 -0.516 -5.914 1.00 0.00 C ATOM 257 O LYS A 19 0.237 -1.453 -6.647 1.00 0.00 O ATOM 258 CB LYS A 19 0.603 1.180 -7.761 1.00 0.00 C ATOM 259 CG LYS A 19 -0.462 2.010 -8.482 1.00 0.00 C ATOM 260 CD LYS A 19 -0.319 1.812 -9.991 1.00 0.00 C ATOM 261 CE LYS A 19 -0.775 3.078 -10.719 1.00 0.00 C ATOM 262 NZ LYS A 19 -0.791 2.705 -12.160 1.00 0.00 N ATOM 0 H LYS A 19 0.397 2.501 -4.918 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.910 1.054 -6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.557 1.707 -7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.756 0.235 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.457 1.708 -8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.351 3.064 -8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.718 1.589 -10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.916 0.959 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.762 3.394 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.093 3.908 -10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.094 3.523 -12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.163 2.415 -12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.453 1.917 -12.307 1.00 0.00 H new ATOM 276 N LYS A 20 1.033 -0.697 -4.748 1.00 0.00 N ATOM 277 CA LYS A 20 1.366 -2.070 -4.294 1.00 0.00 C ATOM 278 C LYS A 20 1.037 -2.235 -2.811 1.00 0.00 C ATOM 279 O LYS A 20 1.916 -2.272 -1.970 1.00 0.00 O ATOM 280 CB LYS A 20 2.868 -2.220 -4.533 1.00 0.00 C ATOM 281 CG LYS A 20 3.148 -3.593 -5.147 1.00 0.00 C ATOM 282 CD LYS A 20 4.540 -4.070 -4.727 1.00 0.00 C ATOM 283 CE LYS A 20 4.426 -5.418 -4.012 1.00 0.00 C ATOM 284 NZ LYS A 20 4.304 -6.423 -5.103 1.00 0.00 N ATOM 0 H LYS A 20 1.264 0.047 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 20 0.794 -2.828 -4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.222 -1.432 -5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.410 -2.112 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.394 -4.309 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.085 -3.536 -6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.183 -4.164 -5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.004 -3.336 -4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.302 -5.612 -3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.558 -5.443 -3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.221 -7.374 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.458 -6.217 -5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.147 -6.381 -5.710 1.00 0.00 H new ATOM 298 N CYS A 21 -0.219 -2.357 -2.483 1.00 0.00 N ATOM 299 CA CYS A 21 -0.588 -2.547 -1.055 1.00 0.00 C ATOM 300 C CYS A 21 -0.323 -4.016 -0.705 1.00 0.00 C ATOM 301 O CYS A 21 -0.803 -4.910 -1.373 1.00 0.00 O ATOM 302 CB CYS A 21 -2.085 -2.221 -0.982 1.00 0.00 C ATOM 303 SG CYS A 21 -2.727 -2.631 0.663 1.00 0.00 S ATOM 0 H CYS A 21 -1.001 -2.333 -3.138 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.026 -1.921 -0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.246 -1.164 -1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.626 -2.783 -1.743 1.00 0.00 H new ATOM 308 N LYS A 22 0.473 -4.285 0.293 1.00 0.00 N ATOM 309 CA LYS A 22 0.792 -5.711 0.610 1.00 0.00 C ATOM 310 C LYS A 22 -0.009 -6.246 1.800 1.00 0.00 C ATOM 311 O LYS A 22 0.199 -5.842 2.925 1.00 0.00 O ATOM 312 CB LYS A 22 2.283 -5.709 0.943 1.00 0.00 C ATOM 313 CG LYS A 22 2.758 -7.146 1.164 1.00 0.00 C ATOM 314 CD LYS A 22 3.256 -7.304 2.603 1.00 0.00 C ATOM 315 CE LYS A 22 3.836 -8.709 2.791 1.00 0.00 C ATOM 316 NZ LYS A 22 3.283 -9.182 4.091 1.00 0.00 N ATOM 0 H LYS A 22 0.913 -3.591 0.897 1.00 0.00 H new ATOM 0 HA LYS A 22 0.536 -6.359 -0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.847 -5.249 0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.466 -5.113 1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.943 -7.843 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.557 -7.388 0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.016 -6.553 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.436 -7.141 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.544 -9.369 1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.926 -8.687 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.714 -10.095 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.496 -8.485 4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.253 -9.296 4.009 1.00 0.00 H new ATOM 330 N ARG A 23 -0.894 -7.185 1.546 1.00 0.00 N ATOM 331 CA ARG A 23 -1.702 -7.808 2.635 1.00 0.00 C ATOM 332 C ARG A 23 -0.847 -8.852 3.367 1.00 0.00 C ATOM 333 O ARG A 23 0.228 -9.200 2.922 1.00 0.00 O ATOM 334 CB ARG A 23 -2.892 -8.474 1.921 1.00 0.00 C ATOM 335 CG ARG A 23 -2.572 -9.932 1.545 1.00 0.00 C ATOM 336 CD ARG A 23 -3.170 -10.884 2.587 1.00 0.00 C ATOM 337 NE ARG A 23 -4.591 -10.461 2.728 1.00 0.00 N ATOM 338 CZ ARG A 23 -5.012 -9.955 3.857 1.00 0.00 C ATOM 339 NH1 ARG A 23 -4.743 -10.557 4.982 1.00 0.00 N ATOM 340 NH2 ARG A 23 -5.703 -8.848 3.858 1.00 0.00 N ATOM 0 H ARG A 23 -1.090 -7.548 0.613 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.040 -7.086 3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.769 -8.447 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.142 -7.910 1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.976 -10.159 0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.493 -10.073 1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.098 -11.921 2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.641 -10.811 3.537 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.235 -10.566 1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.204 -11.423 4.981 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.072 -10.162 5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.914 -8.378 2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.032 -8.453 4.739 1.00 0.00 H new ATOM 354 N ARG A 24 -1.315 -9.373 4.466 1.00 0.00 N ATOM 355 CA ARG A 24 -0.516 -10.409 5.179 1.00 0.00 C ATOM 356 C ARG A 24 -0.828 -11.790 4.593 1.00 0.00 C ATOM 357 O ARG A 24 -1.145 -12.722 5.304 1.00 0.00 O ATOM 358 CB ARG A 24 -0.953 -10.329 6.642 1.00 0.00 C ATOM 359 CG ARG A 24 0.284 -10.179 7.532 1.00 0.00 C ATOM 360 CD ARG A 24 0.113 -11.025 8.795 1.00 0.00 C ATOM 361 NE ARG A 24 0.980 -12.216 8.579 1.00 0.00 N ATOM 362 CZ ARG A 24 0.593 -13.388 9.002 1.00 0.00 C ATOM 363 NH1 ARG A 24 0.475 -13.614 10.282 1.00 0.00 N ATOM 364 NH2 ARG A 24 0.323 -14.334 8.144 1.00 0.00 N ATOM 0 H ARG A 24 -2.206 -9.130 4.898 1.00 0.00 H new ATOM 0 HA ARG A 24 0.557 -10.248 5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.624 -9.483 6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.507 -11.226 6.918 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.175 -10.494 6.989 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.427 -9.132 7.800 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.415 -10.472 9.685 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.928 -11.315 8.938 1.00 0.00 H new ATOM 0 HE ARG A 24 1.875 -12.116 8.101 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.685 -12.874 10.952 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.172 -14.530 10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.415 -14.157 7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.020 -15.251 8.474 1.00 0.00 H new ATOM 378 N GLY A 25 -0.742 -11.918 3.296 1.00 0.00 N ATOM 379 CA GLY A 25 -1.035 -13.231 2.647 1.00 0.00 C ATOM 380 C GLY A 25 -0.772 -13.125 1.142 1.00 0.00 C ATOM 381 O GLY A 25 0.359 -13.121 0.701 1.00 0.00 O ATOM 0 H GLY A 25 -0.481 -11.168 2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.411 -14.011 3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.072 -13.515 2.827 1.00 0.00 H new ATOM 385 N THR A 26 -1.807 -13.034 0.349 1.00 0.00 N ATOM 386 CA THR A 26 -1.611 -12.923 -1.127 1.00 0.00 C ATOM 387 C THR A 26 -2.111 -11.564 -1.620 1.00 0.00 C ATOM 388 O THR A 26 -2.959 -11.485 -2.483 1.00 0.00 O ATOM 389 CB THR A 26 -2.450 -14.049 -1.731 1.00 0.00 C ATOM 390 OG1 THR A 26 -2.176 -14.145 -3.122 1.00 0.00 O ATOM 391 CG2 THR A 26 -3.936 -13.750 -1.519 1.00 0.00 C ATOM 0 H THR A 26 -2.779 -13.032 0.659 1.00 0.00 H new ATOM 0 HA THR A 26 -0.561 -13.004 -1.410 1.00 0.00 H new ATOM 0 HB THR A 26 -2.200 -14.992 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.441 -13.313 -3.566 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.534 -14.553 -1.950 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.144 -13.676 -0.452 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.190 -12.808 -2.004 1.00 0.00 H new ATOM 399 N ASN A 27 -1.592 -10.501 -1.065 1.00 0.00 N ATOM 400 CA ASN A 27 -2.025 -9.129 -1.469 1.00 0.00 C ATOM 401 C ASN A 27 -3.538 -8.966 -1.318 1.00 0.00 C ATOM 402 O ASN A 27 -4.306 -9.882 -1.533 1.00 0.00 O ATOM 403 CB ASN A 27 -1.582 -8.950 -2.925 1.00 0.00 C ATOM 404 CG ASN A 27 -2.682 -9.397 -3.893 1.00 0.00 C ATOM 405 OD1 ASN A 27 -2.565 -10.422 -4.535 1.00 0.00 O ATOM 406 ND2 ASN A 27 -3.754 -8.663 -4.026 1.00 0.00 N ATOM 0 H ASN A 27 -0.876 -10.525 -0.339 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.575 -8.367 -0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.335 -7.904 -3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.676 -9.528 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.492 -8.950 -4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.853 -7.802 -3.487 1.00 0.00 H new ATOM 413 N ALA A 28 -3.964 -7.801 -0.933 1.00 0.00 N ATOM 414 CA ALA A 28 -5.415 -7.563 -0.747 1.00 0.00 C ATOM 415 C ALA A 28 -5.635 -6.186 -0.131 1.00 0.00 C ATOM 416 O ALA A 28 -6.258 -5.331 -0.725 1.00 0.00 O ATOM 417 CB ALA A 28 -5.883 -8.661 0.209 1.00 0.00 C ATOM 0 H ALA A 28 -3.365 -6.999 -0.738 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.965 -7.589 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.951 -8.550 0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.692 -9.637 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.340 -8.579 1.151 1.00 0.00 H new ATOM 423 N GLU A 29 -5.118 -5.960 1.052 1.00 0.00 N ATOM 424 CA GLU A 29 -5.310 -4.617 1.689 1.00 0.00 C ATOM 425 C GLU A 29 -4.718 -4.517 3.107 1.00 0.00 C ATOM 426 O GLU A 29 -5.439 -4.256 4.049 1.00 0.00 O ATOM 427 CB GLU A 29 -6.830 -4.432 1.778 1.00 0.00 C ATOM 428 CG GLU A 29 -7.409 -5.450 2.764 1.00 0.00 C ATOM 429 CD GLU A 29 -8.609 -6.156 2.129 1.00 0.00 C ATOM 430 OE1 GLU A 29 -8.547 -6.437 0.944 1.00 0.00 O ATOM 431 OE2 GLU A 29 -9.569 -6.404 2.839 1.00 0.00 O ATOM 0 H GLU A 29 -4.580 -6.633 1.597 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.799 -3.858 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.066 -3.419 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.282 -4.564 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.647 -6.180 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.714 -4.949 3.683 1.00 0.00 H new ATOM 438 N LYS A 30 -3.427 -4.649 3.287 1.00 0.00 N ATOM 439 CA LYS A 30 -2.889 -4.467 4.672 1.00 0.00 C ATOM 440 C LYS A 30 -2.189 -3.121 4.768 1.00 0.00 C ATOM 441 O LYS A 30 -2.767 -2.143 5.188 1.00 0.00 O ATOM 442 CB LYS A 30 -1.902 -5.580 4.972 1.00 0.00 C ATOM 443 CG LYS A 30 -2.652 -6.812 5.491 1.00 0.00 C ATOM 444 CD LYS A 30 -3.532 -6.411 6.676 1.00 0.00 C ATOM 445 CE LYS A 30 -3.239 -7.324 7.868 1.00 0.00 C ATOM 446 NZ LYS A 30 -1.918 -6.869 8.386 1.00 0.00 N ATOM 0 H LYS A 30 -2.742 -4.867 2.563 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.705 -4.500 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.343 -5.835 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.176 -5.245 5.713 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.265 -7.239 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.943 -7.582 5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.343 -5.372 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.584 -6.483 6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.013 -7.238 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.205 -8.370 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.869 -7.040 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.158 -7.396 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.803 -5.852 8.199 1.00 0.00 H new ATOM 460 N ARG A 31 -0.948 -3.062 4.367 1.00 0.00 N ATOM 461 CA ARG A 31 -0.215 -1.767 4.423 1.00 0.00 C ATOM 462 C ARG A 31 0.461 -1.491 3.083 1.00 0.00 C ATOM 463 O ARG A 31 0.852 -2.398 2.375 1.00 0.00 O ATOM 464 CB ARG A 31 0.833 -1.934 5.519 1.00 0.00 C ATOM 465 CG ARG A 31 0.737 -0.762 6.497 1.00 0.00 C ATOM 466 CD ARG A 31 1.549 -1.075 7.754 1.00 0.00 C ATOM 467 NE ARG A 31 1.227 0.031 8.697 1.00 0.00 N ATOM 468 CZ ARG A 31 2.105 0.407 9.587 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.449 -0.406 10.547 1.00 0.00 N ATOM 470 NH2 ARG A 31 2.637 1.596 9.515 1.00 0.00 N ATOM 0 H ARG A 31 -0.413 -3.851 4.005 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.883 -0.931 4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.677 -2.875 6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.830 -1.975 5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.111 0.148 6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.305 -0.580 6.761 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.275 -2.044 8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.617 -1.112 7.537 1.00 0.00 H new ATOM 0 HE ARG A 31 0.320 0.495 8.648 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.032 -1.335 10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.135 -0.113 11.243 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.367 2.231 8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.323 1.891 10.210 1.00 0.00 H new ATOM 484 N CYS A 32 0.602 -0.249 2.732 1.00 0.00 N ATOM 485 CA CYS A 32 1.257 0.091 1.437 1.00 0.00 C ATOM 486 C CYS A 32 2.754 -0.222 1.505 1.00 0.00 C ATOM 487 O CYS A 32 3.496 0.410 2.229 1.00 0.00 O ATOM 488 CB CYS A 32 1.031 1.591 1.264 1.00 0.00 C ATOM 489 SG CYS A 32 -0.745 1.932 1.274 1.00 0.00 S ATOM 0 H CYS A 32 0.292 0.550 3.285 1.00 0.00 H new ATOM 0 HA CYS A 32 0.850 -0.482 0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.523 2.140 2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.473 1.932 0.328 1.00 0.00 H new ATOM 494 N ARG A 33 3.205 -1.194 0.758 1.00 0.00 N ATOM 495 CA ARG A 33 4.656 -1.540 0.786 1.00 0.00 C ATOM 496 C ARG A 33 5.143 -1.881 -0.624 1.00 0.00 C ATOM 497 O ARG A 33 4.303 -2.083 -1.486 1.00 0.00 O ATOM 498 CB ARG A 33 4.766 -2.763 1.702 1.00 0.00 C ATOM 499 CG ARG A 33 3.836 -2.596 2.908 1.00 0.00 C ATOM 500 CD ARG A 33 4.373 -3.408 4.088 1.00 0.00 C ATOM 501 NE ARG A 33 3.160 -3.892 4.807 1.00 0.00 N ATOM 502 CZ ARG A 33 3.287 -4.649 5.863 1.00 0.00 C ATOM 503 NH1 ARG A 33 4.145 -4.333 6.794 1.00 0.00 N ATOM 504 NH2 ARG A 33 2.558 -5.724 5.985 1.00 0.00 N ATOM 505 OXT ARG A 33 6.346 -1.937 -0.818 1.00 0.00 O ATOM 0 H ARG A 33 2.634 -1.762 0.132 1.00 0.00 H new ATOM 0 HA ARG A 33 5.267 -0.712 1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.503 -3.666 1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.795 -2.884 2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.764 -1.543 3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.830 -2.929 2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.988 -4.241 3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.998 -2.795 4.737 1.00 0.00 H new ATOM 0 HE ARG A 33 2.232 -3.632 4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.717 -3.494 6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.244 -4.925 7.619 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.890 -5.972 5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.657 -6.316 6.810 1.00 0.00 H new TER 519 ARG A 33